⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28945838 | 1.00 | — | — | |
| SCHEMBL258152 | 0.82 | SLC22A6 (0.50) | — | |
| SCHEMBL96227 | 0.80 | — | — | |
| SCHEMBL14109598 | 0.79 | SLC22A6 (0.47) | — | |
| SCHEMBL10902055 | 0.79 | SLC22A6 (0.47) | — | |
| SCHEMBL11112780 | 0.79 | SLC22A6 (0.47) | — | |
| SCHEMBL11112412 | 0.79 | SLC22A6 (0.47) | — | |
| Ethane SCHEMBL5968227 | 0.79 | SLC22A6 (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28582304 | 0.79 | TDP1 (0.53) | — | |
| SCHEMBL6738239 | 0.79 | SLC22A6 (0.47) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4139294-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4x Discovery Limited (GB) | 2023-03-01 | — | — | EP | disclosed |
| CN-115667243-A | Tetrahydroisoquinoline compounds as NRF2 activators | 希四克斯探索有限公司 | 2023-01-31 | — | — | CN | disclosed |
| WO-2021214470-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS | C4X DISCOVERY LIMITED (GB) | 2021-10-28 | — | — | WO | disclosed |